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PCR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBCGsing1.51Å1.50Å
CBHB1sing1.09Å1.12Å
CBHB2sing1.09Å1.11Å
CBHB3sing1.09Å1.11Å
CGCD1doub1.38Å1.41ÅAromatic
CGCD2sing1.38Å1.42ÅAromatic
CD1CE1sing1.38Å1.43ÅAromatic
CD1HD11sing1.08Å1.10Å
CE1CZdoub1.39Å1.42ÅAromatic
CE1HE11sing1.08Å1.10Å
CD2CE2doub1.38Å1.43ÅAromatic
CD2HD21sing1.08Å1.10Å
CE2CZsing1.39Å1.41ÅAromatic
CE2HE21sing1.08Å1.10Å
CZOHsing1.36Å1.37Å
OHHO1sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CGCBHB1120.4°109.5°
CGCBHB2108.2°109.5°
CGCBHB3108.3°109.5°
CBCGCD1120.5°120.0°
CBCGCD2121.0°120.0°
HB1CBHB2108.3°109.5°
HB1CBHB3108.3°109.4°
HB2CBHB3101.7°109.4°
CD1CGCD2118.5°120.0°
CGCD1CE1121.2°120.1°
CGCD1HD11118.7°119.9°
CGCD2CE2121.0°120.1°
CGCD2HD21119.1°119.9°
CE1CD1HD11120.1°120.0°
CD1CE1CZ119.5°120.0°
CD1CE1HE11120.7°120.0°
CZCE1HE11119.8°120.0°
CE1CZCE2120.2°119.8°
CE1CZOH119.5°120.1°
CE2CD2HD21119.9°120.0°
CD2CE2CZ119.6°120.0°
CD2CE2HE21121.0°120.0°
CZCE2HE21119.4°120.0°
CE2CZOH120.2°120.1°
CZOHHO1119.5°106.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CGCBHB1HB2125.2°120.1°
CGCBHB1HB3125.3°120.0°
CGCBHB2HB3113.9°120.1°
CBCGCD1CD2177.0°179.7°
CBCGCD1CE1176.8°180.0°
CBCGCD1HD113.2°0.1°
CBCGCD2CE2176.5°179.8°
CBCGCD2HD213.5°0.2°
HB1CBHB2HB3114.0°119.9°
HB1CBCGCD1180.0°30.0°
HB1CBCGCD23.0°149.7°
HB2CBCGCD154.8°90.1°
HB2CBCGCD2122.2°90.2°
HB3CBCGCD154.8°149.9°
HB3CBCGCD2128.3°29.8°
CGCD1CE1HD11180.0°179.8°
CGCD1CE1CZ0.2°0.1°
CGCD1CE1HE11179.8°179.9°
CD1CGCD2CE20.5°0.5°
CD1CGCD2HD21179.5°179.9°
CD2CGCD1CE10.2°0.3°
CD2CGCD1HD11179.8°179.9°
CGCD2CE2HD21180.0°179.6°
CGCD2CE2CZ0.8°0.5°
CGCD2CE2HE21179.2°179.8°
CD1CE1CZHE11180.0°180.0°
CD1CE1CZCE20.5°0.1°
CD1CE1CZOH176.6°180.0°
HD11CD1CE1CZ179.8°179.9°
HD11CD1CE1HE110.2°0.1°
CE1CZCE2CD20.8°0.2°
CE1CZCE2OH177.1°180.0°
CE1CZCE2HE21179.2°180.0°
CE1CZOHHO1180.0°90.0°
HE11CE1CZCE2179.5°179.9°
HE11CE1CZOH3.4°0.0°
CD2CE2CZHE21180.0°179.7°
CD2CE2CZOH176.3°179.8°
HD21CD2CE2CZ179.2°179.9°
HD21CD2CE2HE210.8°0.2°
CE2CZOHHO12.9°90.0°
HE21CE2CZOH3.7°0.0°

225158

PDB entries from 2024-09-18

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